Metabolite Norzotepine

Name
Norzotepine
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 317.83
Monoisotopic: 317.064113
Chemical Formula
C17H16ClNOS
InChI Key
OVVBIIBBRZVPAL-UHFFFAOYSA-N
InChI
InChI=1S/C17H16ClNOS/c1-19-8-9-20-15-10-12-4-2-3-5-16(12)21-17-7-6-13(18)11-14(15)17/h2-7,10-11,19H,8-9H2,1H3
IUPAC Name
[2-({6-chloro-2-thiatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-9-yl}oxy)ethyl](methyl)amine
SMILES
[H]C1=C([H])C2=C(C([H])=C1[H])C([H])=C(OC([H])([H])C([H])([H])NC([H])([H])[H])C1=C(S2)C([H])=C([H])C(Cl)=C1[H]
Reactions
ChemSpider
8217115
Predicted Properties
PropertyValueSource
Water Solubility0.00171 mg/mLALOGPS
logP4.47ALOGPS
logP4.13ChemAxon
logS-5.3ALOGPS
pKa (Strongest Basic)9.71ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area21.26 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity92.31 m3·mol-1ChemAxon
Polarizability34.82 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon